SCHEMBL84060

SCHEMBL84060

Cc1ccc(F)c(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
LMNA P02545 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
CYP2A6 P11509 3/20 0.40
CYP1A2 P05177 2/20 0.40
NFE2L2 Q16236 1/20 0.38
ACHE P22303 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC9A1 P19634 1/20 0.35
NISCH Q9Y2I1 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16533109 0.84 TRPA1 (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL19121837 0.84 TRPA1 (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL8237013 0.83 NFE2L2 (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL12447345 0.83 TRPA1 (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL16953798 0.82 CHRM1 (0.38) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL10155650 0.82 PDE2A (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL19682798 0.82 LMNA (0.38) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL30608020 0.82 PDE2A (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL8251516 0.82 TRPA1 (0.42) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL29337277 0.82 PDE2A (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 224 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400502-A2 TRIAZINE DERIVATIVES HAVING VIRUS REPLICATION INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Shionogi & Co., Ltd (JP) 2024-07-17 EP disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
WO-2023230026-A1 PIPERIDINYL-METHYLPURINE BENZENES AND RELATED COMPOUNDS AND THEIR USE IN TREATING DISEASES AND CONDITIONS K36 THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
EP-3956320-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-11-29 EP disclosed
US-11793771-B2 Immunomodulator compounds CHEMOCENTRYX, INC. (US) 2023-10-24 US disclosed
US-11793771-B2 Immunomodulator compounds CHEMOCENTRYX, INC. (US) 2023-10-24 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
EP-4249474-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-09-27 EP disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-7410970-B2 Substituted 1,4,-di-piperidin-4-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-12 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
WO-2007107373-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2007-09-27 WO disclosed
US-20070225317-A1 RSV POLYMERASE INHIBITORS SIMONEAU BRUNO 2007-09-27 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007048779-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 WO disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 TRPA1 2379/4885LMNA 3039/4885CHRM1 4757/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TRPA1 3080/4885LMNA 170/4885CHRM1 3754/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TRPA1 3080/4885LMNA 170/4885CHRM1 3754/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 TRPA1 399/4885LMNA 3518/4885CHRM1 1232/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 TRPA1 399/4885LMNA 3518/4885CHRM1 1232/4885
US-11793771-B2 Immunomodulator compounds IL2, IL2RA, C3AR1 TRPA1 3038/4885LMNA 4728/4885CHRM1 81/4885
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 TRPA1 1945/4885LMNA 2315/4885CHRM1 2041/4885
US-20070225317-A1 RSV POLYMERASE INHIBITORS POLR2E, POLR2H, POLR2A TRPA1 4537/4885LMNA 2603/4885CHRM1 1471/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.